3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one

C24H19FN2O2 — CID 50759410

IUPAC3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccccc3C)c2n1
InChIInChI=1S/C24H19FN2O2/c1-15-5-3-4-6-18(15)13-27-14-21(22(28)17-8-10-19(25)11-9-17)23(29)20-12-7-16(2)26-24(20)27/h3-12,14H,13H2,1-2H3
InChIKeyZBGPHPUXEZMVOF-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.43
Rot. Bonds4

About 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one

3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one (PubChem CID 50759410) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one
PubChem CID50759410
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccccc3C)c2n1
InChIInChI=1S/C24H19FN2O2/c1-15-5-3-4-6-18(15)13-27-14-21(22(28)17-8-10-19(25)11-9-17)23(29)20-12-7-16(2)26-24(20)27/h3-12,14H,13H2,1-2H3
InChIKeyZBGPHPUXEZMVOF-UHFFFAOYSA-N
XLogP4.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one?
The IUPAC name of 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one (CID 50759410) is 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccccc3C)c2n1.
What is the InChIKey of 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one?
The InChIKey is ZBGPHPUXEZMVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-15-5-3-4-6-18(15)13-27-14-21(22(28)17-8-10-19(25)11-9-17)23(29)20-12-7-16(2)26-24(20)27/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one?
3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one has a molecular weight of 386.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).